SCHEMBL7202279

SCHEMBL7202279

N#CNc1cc(Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.43
IDO1 P14902 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
MAP2K1 Q02750 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11664814 0.81 ALDH1A1 (0.32) MEN1KMT2AIDO1MAPTEPHX1
SCHEMBL996051 0.79
SCHEMBL1758864 0.78 IDO1 (0.47) MEN1KMT2APOLBMCL1IDO1
SCHEMBL1758628 0.78 MEN1 (0.50) MEN1KMT2APOLBMCL1IDO1
SCHEMBL6847030 0.75 KMT2A (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7204065 0.75 GAA (0.39) MEN1KMT2APOLBIDO1TP53
SCHEMBL6847349 0.75 TDP1 (0.48) POLBMAPTALDH1A1CYP3A4TDP1
SCHEMBL2681031 0.74 MEN1 (0.54) MEN1KMT2APOLBMCL1IDO1
SCHEMBL9535622 0.74 FABP4 (0.48) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL3168133 0.73 ALDH1A1 (0.43) MEN1KMT2AIDO1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017191554-A1 PROCESS FOR PREPARATION OF 3,6-DICHLORO-2-METHOXYBENZOIC ACID (DICAMBA) GHARDA KEKI HORMUSJI (IN) 2017-11-09 WO disclosed
EP-0705100-B1 THERAPEUTIC SUBSTITUTED GUANIDINES CENES LTD (GB) 2003-07-30 EP disclosed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US disclosed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US disclosed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US disclosed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP disclosed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP disclosed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 WO disclosed